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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50043371   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440040
PNG
(CHEMBL2425821)
Show SMILES COc1cc(F)c(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C18H10BrF2NO6/c1-27-8-4-10(20)15(11(21)5-8)17(24)22-12-3-7(19)2-9-13(23)6-14(18(25)26)28-16(9)12/h2-6H,1H3,(H,22,24)(H,25,26)
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0.589n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436006
PNG
(CHEMBL2392171)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1
Show InChI InChI=1S/C17H8BrCl2NO5/c18-7-3-10-13(22)6-14(17(24)25)26-15(10)12(4-7)21-16(23)9-2-1-8(19)5-11(9)20/h1-6H,(H,21,23)(H,24,25)
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0.938n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436000
PNG
(CHEMBL2392179)
Show SMILES COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C18H11BrClNO6/c1-26-9-2-3-10(12(20)6-9)17(23)21-13-5-8(19)4-11-14(22)7-15(18(24)25)27-16(11)13/h2-7H,1H3,(H,21,23)(H,24,25)
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1.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440042
PNG
(CHEMBL2425819)
Show SMILES COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C18H11BrFNO6/c1-26-9-2-3-10(12(20)6-9)17(23)21-13-5-8(19)4-11-14(22)7-15(18(24)25)27-16(11)13/h2-7H,1H3,(H,21,23)(H,24,25)
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1.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440041
PNG
(CHEMBL2425820)
Show SMILES COc1ccc(cc1F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H11BrFNO6/c1-26-14-3-2-8(4-11(14)20)17(23)21-12-6-9(19)5-10-13(22)7-15(18(24)25)27-16(10)12/h2-7H,1H3,(H,21,23)(H,24,25)
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1.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440043
PNG
(CHEMBL2425824)
Show SMILES COc1ccc(C(=O)Nc2cc(Cl)cc3c2oc(cc3=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C18H11ClFNO6/c1-26-9-2-3-10(12(20)6-9)17(23)21-13-5-8(19)4-11-14(22)7-15(18(24)25)27-16(11)13/h2-7H,1H3,(H,21,23)(H,24,25)
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1.90n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436003
PNG
(CHEMBL2392172)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
Show InChI InChI=1S/C17H8BrCl2NO5/c18-8-4-9-13(22)6-14(17(24)25)26-15(9)12(5-8)21-16(23)7-1-2-10(19)11(20)3-7/h1-6H,(H,21,23)(H,24,25)
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2.20n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436008
PNG
(CHEMBL2392160)
Show SMILES OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1
Show InChI InChI=1S/C17H8Cl2FNO5/c18-7-1-2-9(11(19)3-7)16(23)21-12-5-8(20)4-10-13(22)6-14(17(24)25)26-15(10)12/h1-6H,(H,21,23)(H,24,25)
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4.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436012
PNG
(CHEMBL2392170)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Show InChI InChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
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4.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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5.20n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436007
PNG
(CHEMBL2392167)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12ClNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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5.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50185
PNG
(2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-y...)
Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
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8.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM38549
PNG
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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12n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436015
PNG
(CHEMBL2392161)
Show SMILES OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
Show InChI InChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25)
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12n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436011
PNG
(CHEMBL2392178)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc4OCOc4c3)c2o1
Show InChI InChI=1S/C18H10BrNO7/c19-9-4-10-12(21)6-15(18(23)24)27-16(10)11(5-9)20-17(22)8-1-2-13-14(3-8)26-7-25-13/h1-6H,7H2,(H,20,22)(H,23,24)
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15n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440038
PNG
(CHEMBL2425823)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(OC)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H15NO7/c1-25-11-5-3-10(4-6-11)18(22)20-14-8-12(26-2)7-13-15(21)9-16(19(23)24)27-17(13)14/h3-9H,1-2H3,(H,20,22)(H,23,24)
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21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436014
PNG
(CHEMBL2392162)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(F)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12FNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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25n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50435998
PNG
(CHEMBL2392183)
Show SMILES COc1ccc(cn1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-14-3-2-8(7-19-14)16(22)20-11-5-9(18)4-10-12(21)6-13(17(23)24)26-15(10)11/h2-7H,1H3,(H,20,22)(H,23,24)
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26n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM35525
PNG
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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39n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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42n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440039
PNG
(CHEMBL2425822)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(C)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H15NO6/c1-10-7-13-15(21)9-16(19(23)24)26-17(13)14(8-10)20-18(22)11-3-5-12(25-2)6-4-11/h3-9H,1-2H3,(H,20,22)(H,23,24)
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43n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440034
PNG
(CHEMBL2425825)
Show SMILES OC(=O)COc1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
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51n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
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57n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436021
PNG
(CHEMBL2392168)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccccc3)c2o1
Show InChI InChI=1S/C17H10BrNO5/c18-10-6-11-13(20)8-14(17(22)23)24-15(11)12(7-10)19-16(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,22,23)
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82n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436019
PNG
(CHEMBL2392175)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H14BrNO6/c1-2-26-12-5-3-10(4-6-12)18(23)21-14-8-11(20)7-13-15(22)9-16(19(24)25)27-17(13)14/h3-9H,2H2,1H3,(H,21,23)(H,24,25)
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98n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436016
PNG
(CHEMBL2392159)
Show SMILES OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1
Show InChI InChI=1S/C17H8Cl2FNO5/c18-10-3-1-2-8(14(10)19)16(23)21-11-5-7(20)4-9-12(22)6-13(17(24)25)26-15(9)11/h1-6H,(H,21,23)(H,24,25)
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119n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436013
PNG
(CHEMBL2392169)
Show SMILES Cc1cccc(c1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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128n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436024
PNG
(CHEMBL2392164)
Show SMILES OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccccc3)c2o1
Show InChI InChI=1S/C17H10ClNO5/c18-10-6-11-13(20)8-14(17(22)23)24-15(11)12(7-10)19-16(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,22,23)
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138n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436020
PNG
(CHEMBL2392173)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
Show InChI InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
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148n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436022
PNG
(CHEMBL2392166)
Show SMILES OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)c2o1
Show InChI InChI=1S/C17H9ClN2O7/c18-9-5-11-13(21)7-14(17(23)24)27-15(11)12(6-9)19-16(22)8-1-3-10(4-2-8)20(25)26/h1-7H,(H,19,22)(H,23,24)
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183n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436029
PNG
(CHEMBL2392163)
Show SMILES CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1
Show InChI InChI=1S/C20H16FNO6/c1-3-27-20(25)17-10-16(23)14-8-12(21)9-15(18(14)28-17)22-19(24)11-4-6-13(26-2)7-5-11/h4-10H,3H2,1-2H3,(H,22,24)
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198n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436009
PNG
(CHEMBL2392157)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H13NO6/c1-24-11-7-5-10(6-8-11)17(21)19-13-4-2-3-12-14(20)9-15(18(22)23)25-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)
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221n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436004
PNG
(CHEMBL2392177)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H14BrNO7/c1-26-14-4-3-9(5-15(14)27-2)18(23)21-12-7-10(20)6-11-13(22)8-16(19(24)25)28-17(11)12/h3-8H,1-2H3,(H,21,23)(H,24,25)
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228n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436017
PNG
(CHEMBL2392158)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2o1
Show InChI InChI=1S/C17H10BrNO5/c18-10-6-4-9(5-7-10)16(21)19-12-3-1-2-11-13(20)8-14(17(22)23)24-15(11)12/h1-8H,(H,19,21)(H,22,23)
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233n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436023
PNG
(CHEMBL2392165)
Show SMILES Cc1cccc(c1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12ClNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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250n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436005
PNG
(CHEMBL2392176)
Show SMILES COc1ccccc1C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-14-5-3-2-4-10(14)17(22)20-12-7-9(19)6-11-13(21)8-15(18(23)24)26-16(11)12/h2-8H,1H3,(H,20,22)(H,23,24)
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331n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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401n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
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655n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436028
PNG
(CHEMBL2392152)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4n3)c2o1
Show InChI InChI=1S/C20H12N2O5/c23-16-10-17(20(25)26)27-18-12(16)5-3-7-14(18)22-19(24)15-9-8-11-4-1-2-6-13(11)21-15/h1-10H,(H,22,24)(H,25,26)
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691n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436031
PNG
(CHEMBL2392155)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H13NO5/c1-10-5-7-11(8-6-10)17(21)19-13-4-2-3-12-14(20)9-15(18(22)23)24-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)
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697n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436002
PNG
(CHEMBL2392151)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2o1
Show InChI InChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26)
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714n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440033
PNG
(CROMOLYN | Crolom | Cromoglicic Acid)
Show SMILES OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O
Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
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2.34E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436033
PNG
(CHEMBL2392150)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)Cc3ccccc3)c2o1
Show InChI InChI=1S/C18H13NO5/c20-14-10-15(18(22)23)24-17-12(14)7-4-8-13(17)19-16(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21)(H,22,23)
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2.72E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436037
PNG
(CHEMBL2392144)
Show SMILES Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C10H6BrNO4/c11-4-1-5-7(13)3-8(10(14)15)16-9(5)6(12)2-4/h1-3H,12H2,(H,14,15)
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3.01E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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3.27E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436034
PNG
(CHEMBL2392149)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccccc3)c2o1
Show InChI InChI=1S/C17H11NO5/c19-13-9-14(17(21)22)23-15-11(13)7-4-8-12(15)18-16(20)10-5-2-1-3-6-10/h1-9H,(H,18,20)(H,21,22)
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3.29E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436026
PNG
(CHEMBL2392148)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1
Show InChI InChI=1S/C17H17NO5/c19-13-9-14(17(21)22)23-15-11(13)7-4-8-12(15)18-16(20)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,20)(H,21,22)
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3.58E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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3.61E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440044
PNG
(CHEMBL2392180)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2o1
Show InChI InChI=1S/C21H17NO6/c23-17-10-18(21(25)26)28-19-15(17)2-1-3-16(19)22-20(24)13-6-8-14(9-7-13)27-11-12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H,22,24)(H,25,26)
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3.71E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436032
PNG
(CHEMBL2392154)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3cccc(c3)[N+]([O-])=O)c2o1
Show InChI InChI=1S/C17H10N2O7/c20-13-8-14(17(22)23)26-15-11(13)5-2-6-12(15)18-16(21)9-3-1-4-10(7-9)19(24)25/h1-8H,(H,18,21)(H,22,23)
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4.39E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
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